4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid

C16H25NO4 — CID 82350796

IUPAC4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid
SMILESCOc1ccc(OC)c(CC(CC(=O)O)NCC(C)C)c1
InChIInChI=1S/C16H25NO4/c1-11(2)10-17-13(9-16(18)19)7-12-8-14(20-3)5-6-15(12)21-4/h5-6,8,11,13,17H,7,9-10H2,1-4H3,(H,18,19)
InChIKeyYOPSUBDIJSSLCJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.34
Rot. Bonds9

About 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid

4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid (PubChem CID 82350796) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid
PubChem CID82350796
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid
SMILESCOc1ccc(OC)c(CC(CC(=O)O)NCC(C)C)c1
InChIInChI=1S/C16H25NO4/c1-11(2)10-17-13(9-16(18)19)7-12-8-14(20-3)5-6-15(12)21-4/h5-6,8,11,13,17H,7,9-10H2,1-4H3,(H,18,19)
InChIKeyYOPSUBDIJSSLCJ-UHFFFAOYSA-N
XLogP2.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
CID 82262391
3-bromo-4-(2,5-dimethoxyphenyl)butanoic acid
CID 82351985
4-(2,5-dimethylphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82351058
3-[1-(2,5-dimethoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 84751636
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
(2S)-3-(2,5-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100546355
4-(4-methoxyphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82322512
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
4-(4-methoxy-2-methylphenyl)-3-(2-methylpropylamino)-4-oxobutanoic acid
CID 82349839
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
CID 91727190
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid (CID 82350796) is 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid is COc1ccc(OC)c(CC(CC(=O)O)NCC(C)C)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid?
The InChIKey is YOPSUBDIJSSLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(2)10-17-13(9-16(18)19)7-12-8-14(20-3)5-6-15(12)21-4/h5-6,8,11,13,17H,7,9-10H2,1-4H3,(H,18,19).
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid?
4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid is sourced from PubChem (CID 82350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).